DMS (Desmond Molecular Structure files)
Coordinate reader |
|
Topology parser |
The DESRES Molecular Structure (DMS) file is an SQLite-format database for storing coordinate and topology information. See the Desmond Users Guide (chapter 6 and chapter 17) for more information.
Important
Atom ids
Unlike most other file formats, Desmond starts atom numbers at 0. This means the first atom in a DMS file will have an Atom.id
of 0. However, residues are not necessarily numbered from 0. Residue.resid
numbering can start from 1.